SCHEMBL7125364

SCHEMBL7125364

CC(=O)Nc1cc(Sc2ccc(C(=O)N[C@@H]3C[C@H]4CC[C@@H]3N4)cc2)ccn1

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PIK3C3 Q8NEB9 15/20 0.39
CHRNA7 P36544 1/20 0.35
BRAF P15056 1/20 0.35
TAS1R3 Q7RTX0 1/20 0.34
TAS1R1 Q7RTX1 1/20 0.34
TAS1R2 Q8TE23 1/20 0.34
EZH2 Q15910 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7117129 0.87 CHRNA7 (0.37) CHRNA7TAS1R3TAS1R1TAS1R2EZH2
SCHEMBL7125259 0.87 NSD2 (0.41) PIK3C3CHRNA7EZH2
SCHEMBL7123867 0.86 CHRNA7 (0.38) CHRNA7TAS1R3TAS1R1TAS1R2EZH2
SCHEMBL7122575 0.84 TAS1R3 (0.43) CHRNA7TAS1R3TAS1R1TAS1R2EZH2
SCHEMBL7126672 0.84 CHRNA7 (0.35) PIK3C3CHRNA7BRAFTAS1R3TAS1R1
SCHEMBL7117116 0.84 CHRNA7 (0.42) CHRNA7EZH2
SCHEMBL7126739 0.84 EGLN1 (0.39) CHRNA7
SCHEMBL7123911 0.83 MAPK14 (0.43) PIK3C3BRAF
SCHEMBL7116046 0.83 CHRNA7 (0.43) CHRNA7EZH2
SCHEMBL7119268 0.82 CTSC (0.38) CHRNA7TAS1R3TAS1R1TAS1R2EZH2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030069296-A1 Substituted-aryl 7-aza[2.2.1]bicycloheptanes for the treatment of disease PHARMACIA & UPJOHN COMPANY 2003-04-10 US claimed
US-20030069296-A1 Substituted-aryl 7-aza[2.2.1]bicycloheptanes for the treatment of disease PHARMACIA & UPJOHN COMPANY 2003-04-10 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20030069296-A1 Substituted-aryl 7-aza[2.2.1]bicycloheptanes for the treatment of disease CYP7B1, UGT2B7, CYP1B1 PIK3C3 809/4885CHRNA7 397/4885BRAF 3842/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.